(2,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methanone

C15H18F2O — CID 64728885

IUPAC(2,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methanone
SMILESCC1CC(C)CC(C(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C15H18F2O/c1-9-5-10(2)7-11(6-9)15(18)13-4-3-12(16)8-14(13)17/h3-4,8-11H,5-7H2,1-2H3
InChIKeyYKONHQZFOPNRBN-UHFFFAOYSA-N
MW252.30 g/mol
LogP4.22
Rot. Bonds2

About (2,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methanone

(2,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methanone (PubChem CID 64728885) has the molecular formula C15H18F2O and a molecular weight of 252.30 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methanone
PubChem CID64728885
Molecular FormulaC15H18F2O
Molecular Weight252.30 g/mol
Exact Mass252.13
IUPAC Name(2,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methanone
SMILESCC1CC(C)CC(C(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C15H18F2O/c1-9-5-10(2)7-11(6-9)15(18)13-4-3-12(16)8-14(13)17/h3-4,8-11H,5-7H2,1-2H3
InChIKeyYKONHQZFOPNRBN-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-fluorophenyl)-(3,5-dimethylcyclohexyl)methanone
CID 114905837
(2,4-difluorophenyl)-(thietan-3-yl)methanone
CID 164657486
1-[3-(2,4-difluorobenzoyl)azetidin-1-yl]ethanone
CID 151260037
(2,4-difluorophenyl)-(2-methylcyclopentyl)methanone
CID 107176233
3-(2,4-difluorobenzoyl)cyclopentan-1-one
CID 79639435
(2,5-difluorophenyl)-(4-methylcyclohexyl)methanone
CID 55120292
(4-fluoro-2-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790629
(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanone
CID 114975303
(2,4-difluorophenyl)-piperidin-3-ylmethanone
CID 24689284
tert-butyl 7-(2,4-difluorobenzoyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171944404
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
(2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone
CID 81304901

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methanone?
The IUPAC name of (2,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methanone (CID 64728885) is (2,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methanone.
What is the SMILES notation for (2,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methanone?
The canonical SMILES for (2,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methanone is CC1CC(C)CC(C(=O)c2ccc(F)cc2F)C1.
What is the InChIKey of (2,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methanone?
The InChIKey is YKONHQZFOPNRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O/c1-9-5-10(2)7-11(6-9)15(18)13-4-3-12(16)8-14(13)17/h3-4,8-11H,5-7H2,1-2H3.
What are the key properties of (2,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methanone?
(2,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methanone has a molecular weight of 252.30 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methanone is sourced from PubChem (CID 64728885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).